Chem
J-GLOBAL ID：200907068896194031   Nikkaji number：J925.588E

8-(2-Thienyl)-1-propargyl-3,7-dimethylxanthine

8-(2-チエニル)-1-プロパルギル-3,7-ジメチルキサンチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C14H12N4O2S
Molecular formula furigana： C14-H12-N4-O2-S
Molecular weight： 300.340
InChI： InChI=1S/C14H12N4O2S/c1-4-7-18-13(19)10-12(17(3)14(18)20)15-11(16(10)2)9-6-5-8-21-9/h1,5-6,8H,7H2,2-3H3
InChI key： SKEWVSPNMTUQEG-UHFFFAOYSA-N
SMILES： Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)c1cccs1
Systematic name  (3)：
  • 8-(2-チエニル)-1-プロパルギル-3,7-ジメチルキサンチン
  • 3,7-ジメチル-1-(プロパ-2-イン-1-イル)-8-(チオフェン-2-イル)-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 3,7-dimethyl-1-(prop-2-yn-1-yl)-8-(thiophen-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 8-(2-Thienyl)-1-propargyl-3,7-dimethylxanthine
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